1-methyl-6H-benzo[c]thiochromene

C14H12S — CID 166919119

IUPAC1-methyl-6H-benzo[c]thiochromene
SMILESCc1cccc2c1-c1ccccc1CS2
InChIInChI=1S/C14H12S/c1-10-5-4-8-13-14(10)12-7-3-2-6-11(12)9-15-13/h2-8H,9H2,1H3
InChIKeyWSOZRNFMKVXEFZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.27
Rot. Bonds

About 1-methyl-6H-benzo[c]thiochromene

1-methyl-6H-benzo[c]thiochromene (PubChem CID 166919119) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-methyl-6H-benzo[c]thiochromene.

Molecular Properties

Compound Name1-methyl-6H-benzo[c]thiochromene
PubChem CID166919119
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1-methyl-6H-benzo[c]thiochromene
SMILESCc1cccc2c1-c1ccccc1CS2
InChIInChI=1S/C14H12S/c1-10-5-4-8-13-14(10)12-7-3-2-6-11(12)9-15-13/h2-8H,9H2,1H3
InChIKeyWSOZRNFMKVXEFZ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-6H-benzo[c]thiochromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6H-benzo[c]thiochromene?
The IUPAC name of 1-methyl-6H-benzo[c]thiochromene (CID 166919119) is 1-methyl-6H-benzo[c]thiochromene.
What is the SMILES notation for 1-methyl-6H-benzo[c]thiochromene?
The canonical SMILES for 1-methyl-6H-benzo[c]thiochromene is Cc1cccc2c1-c1ccccc1CS2.
What is the InChIKey of 1-methyl-6H-benzo[c]thiochromene?
The InChIKey is WSOZRNFMKVXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-10-5-4-8-13-14(10)12-7-3-2-6-11(12)9-15-13/h2-8H,9H2,1H3.
What are the key properties of 1-methyl-6H-benzo[c]thiochromene?
1-methyl-6H-benzo[c]thiochromene has a molecular weight of 212.32 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6H-benzo[c]thiochromene is sourced from PubChem (CID 166919119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).